This activity will give and introduction to making interactive, publication-quality graphs using Plotly’s R graphing library. We will focus on using Plotly to create plots using machine learning models.

In this activity you will learn: - Create displays for Linear Regression - Create Error and Residual Plots

Installing Plotly

Installing plotly is simple. Downloading and adding Plotly to your library takes 2 lines of code.

install.packages("plotly")
library(plotly)

Creating a Basic Scatterplot using Plotly

Creating an interactive scatterplot using Plotly is very simple. Specify a scatterplot by using type = "scatter" in the plot_ly() function. Notice that the x and y arguments are specified as formulas with the tilde (~) operator preceding the variable. This will create a basic scatterplot that allows the user to interact with each individual point.

This example uses a dataframe from the reshape2 library called tips which contains data about the amount of tips a server receives. We plot the total_bill variable on the x-axis and the tips variable on the y-axis.

library(reshape2) # to load tips data
data(tips)
tips$sex <- as.character(tips$sex) # necessary for KNN Classification

fig <- plot_ly(tips, x = ~total_bill, y = ~tip, type = 'scatter', alpha = 0.65, mode = 'markers', name = 'Tips')
fig

Create your own scatterplot!

Using the tips data create your own scatterplot. We have provided code to guide you

x.variable = #add the variable you want on the x axis
y.variable = #add the variable you want on the y axis

my.fig <-plot_ly(tips , x = ~x.variable, y = ~y.variable, type = 'scatter', alpha = 0.65, mode = 'markers', name = 'Tips')
my.fig

ML Regression in R

Train a Basic Linear Regression Model

To show how plotly can be used for displaying machine learning model, we will first start with a simple linear regression model example. The model will predict tips a server will receive based on various client attributes using the same data as above.

We use the tidymodels package to preprocess our data and train our model.

library(tidyverse)
library(tidymodels) # for the fit() function


# Set the x and y data
y <- tips$tip
X <- tips$total_bill

# Train our model
lm_model <- linear_reg() %>% 
  set_engine('lm') %>% 
  set_mode('regression') %>%
  fit(tip ~ total_bill, data = tips) 

x_range <- seq(min(X), max(X), length.out = 100)
x_range <- matrix(x_range, nrow=100, ncol=1)
xdf <- data.frame(x_range)
colnames(xdf) <- c('total_bill')

ydf <- lm_model %>% predict(xdf) 

colnames(ydf) <- c('tip')
xy <- data.frame(xdf, ydf)

Visualizing using Plotly

To add a trend line using predicted data from our model, we use the add_trace() function. We pipe our figure into the function using %>%. We specify our data used for the line as dataframe containing 2 columns, one for the x values, and the second for the predicted y values. We set mode = 'lines' to indicate we are adding a line. We can display the same scatterplot with an updated trend line.

fig <- fig %>% add_trace(data = xy, x = ~total_bill, y = ~tip, name = 'Regression Fit', mode = 'lines', alpha = 1)
fig

Can You Create A Scatterplot On Your Own?

We have done the preprocessing and fitting. Can you create the scatter plot and add the line yourself? The answers is below if you are having any trouble.

data("iris")
# Set the x and y data
y <- iris$Petal.Width
X <- iris$Petal.Length

# Train our model
lm_model <- linear_reg() %>% 
  set_engine('lm') %>% 
  set_mode('regression') %>%
  fit(Petal.Width ~ Petal.Length, data = iris) 

x_range <- seq(min(X), max(X), length.out = 150)
x_range <- matrix(x_range, nrow=150, ncol=1)
xdf <- data.frame(x_range)
colnames(xdf) <- c('Petal.Length')

ydf <- lm_model %>% predict(xdf) 

colnames(ydf) <- c('Petal.Width')
xy <- data.frame(xdf, ydf) 
#Add the plot hear

Answer

# Create the scatterplot
iris.fig <- plot_ly(iris, x = ~Petal.Width, y = ~Petal.Length, type = 'scatter', alpha = 0.65, mode = 'markers', name = 'Tips')
# Add the trend line
iris.fig <- iris.fig %>% add_trace(data = xy, x = ~Petal.Width, y = ~Petal.Length, name = 'Regression Fit', mode = 'lines', alpha = 1)
iris.fig

Adding More Color

Using the add_trace() function, you can easily color the data points based on a predefined factor. For example, in the following plot we split the data we used in the previous example into a training set and a test set. We can easily use different colors to display the training and test sets to see if the model generalizes well.

We use tidymodel again to help us easily split the data and train our new model.

set.seed(123)
tips_split <- initial_split(tips)
tips_training <- tips_split %>% 
  training()
tips_test <- tips_split %>% 
  testing()

lm_model <- linear_reg() %>% 
  set_engine('lm') %>% 
  set_mode('regression') %>%
  fit(tip ~ total_bill, data = tips_training) 

x_range <- seq(min(X), max(X), length.out = 100)
x_range <- matrix(x_range, nrow=100, ncol=1)
xdf <- data.frame(x_range)
colnames(xdf) <- c('total_bill')

ydf <- lm_model %>%
  predict(xdf) 

colnames(ydf) <- c('tip')
xy <- data.frame(xdf, ydf)

We then first create a simple scatter plot, this time only plotting the training data.

fig <- plot_ly(data = tips_training, x = ~total_bill, y = ~tip, type = 'scatter', name = 'train', mode = 'markers', alpha = 0.65) 
fig

We can then add the test data to the same scatter plot in a different color by using add_trace() again.

fig <- fig %>% 
  add_trace(data = tips_test, x = ~total_bill, y = ~tip, type = 'scatter', name = 'test', mode = 'markers', alpha = 0.65 )

fig

And then finally we add the trend line.

fig <- fig %>% 
  add_trace(data = xy, x = ~total_bill, y = ~tip, name = 'prediction', mode = 'lines', alpha = 1)
fig

Practice Adding Color!

We have given you the tips data set seperated into male and female, can you plot them on the same plot with total bill on the x axis and tip on the y axis, colored by sex?

tips.female = tips %>% 
  filter(sex == "Female")

tips.male = tips %>%
  filter(sex == "Male")
# First create the plot of the females

# Then add the plot of the males 
fig <- plot_ly(data = tips.female, x = ~total_bill, y = ~tip, type = 'scatter', name = 'female', mode = 'markers', alpha = 0.65) 
fig <- fig %>% 
  add_trace(data = tips.male, x = ~total_bill, y = ~tip, name = 'male', mode = 'markers', alpha = .65)
fig

KNN

In addition to linear regression, we can also fit a KNN model to our data, which can be easily displayed as well in plotly.

We first train 2 different KNN models.

library(kknn)
# Model #1
knn_dist <- nearest_neighbor(neighbors = 10, weight_func = 'inv') %>% 
  set_engine('kknn') %>% 
  set_mode('regression') %>%
  fit(tip ~ total_bill, data = tips)

# Model #2
knn_uni <- nearest_neighbor(neighbors = 10, weight_func = 'rectangular') %>% 
  set_engine('kknn') %>% 
  set_mode('regression') %>%
  fit(tip ~ total_bill, data = tips) 

x_range <- seq(min(X), max(X), length.out = 100)
x_range <- matrix(x_range, nrow=100, ncol=1)
xdf <- data.frame(x_range)
colnames(xdf) <- c('total_bill')

y_dist <- knn_dist %>%
  predict(xdf) 
y_uni <- knn_uni %>%
  predict(xdf) 

colnames(y_dist) <- c('dist')
colnames(y_uni) <- c('uni')
xy <- data.frame(xdf, y_dist, y_uni)

We can then create another scatterplot, using the same methods as before, but this time we color based on sex.

fig <- plot_ly(tips, type = 'scatter', mode = 'markers', colors = c("#FF7F50", "#6495ED")) %>% 
  add_trace(data = tips, x = ~total_bill, y = ~tip, type = 'scatter', mode = 'markers', color = ~sex, alpha = 0.65) 

fig

We can then add our first KNN fit to the scatterplot, using the same method as with the linear trend.

fig <- fig %>% 
  add_trace(data = xy, x = ~total_bill, y = ~dist, name = 'Weights: Distance', mode = 'lines', alpha = 1) 

fig

And finally our second KNN fit as well.

fig <- fig %>%
  add_trace(data = xy, x = ~total_bill, y = ~uni, name = 'Weights: Uniform', mode = 'lines', alpha = 1) 
fig

Prediction Error Plots

In certain instances, error plots tell a better story of the data. Just as regression was simple to plot, so are error plots.

Simple Actual vs Predicted Error Plot

First a simple ggplot is created which displays prediction on the y axis and the truth on the x-axis.

library(ggplot2)

data("iris")

X <- data.frame(Sepal.Width = c(iris$Sepal.Width), Sepal.Length = c(iris$Sepal.Length))
y <- iris$Petal.Width

lm_model <- linear_reg() %>% 
  set_engine('lm') %>% 
  set_mode('regression') %>%
  fit(Petal.Width ~ Sepal.Width + Sepal.Length, data = iris) 

y_pred <- lm_model %>%
  predict(X) 

db = cbind(iris, y_pred)

colnames(db)[4] <- "Ground_truth"
colnames(db)[6] <- "prediction"

x0 = min(y)
y0 = max(y)
x1 = max(y)
y1 = max(y)
p1 <- ggplot(db, aes(x= Ground_truth, y= prediction  )) +
  geom_point(aes(color = "Blue"), show.legend = FALSE) + geom_segment(aes(x = x0, y = x0, xend = y1, yend = y1 ),linetype = 2)
p1

The plot is then passed into ggplotly() which creates an interactive version of the ggplot.

p1 <-  ggplotly(p1)
p1

Residual Plots

Similarly, we can easily display residual plots.

We first create our model and predictions.

data(iris)

X <- iris %>% select(Sepal.Width, Sepal.Length)
y <- iris %>% select(Petal.Width)

set.seed(0)
iris_split <- initial_split(iris, prop = 3/4)
iris_training <- iris_split %>% 
  training()
iris_test <- iris_split %>% 
  testing()

train_index <- as.integer(rownames(iris_training))
test_index <- as.integer(rownames(iris_test))

iris[train_index,'split'] = 'train'
iris[test_index,'split'] = 'test'

lm_model <- linear_reg() %>% 
  set_engine('lm') %>% 
  set_mode('regression') %>%
  fit(Petal.Width ~ Sepal.Width + Sepal.Length, data = iris_training) 

prediction <- lm_model %>%
  predict(X) 
colnames(prediction) <- c('prediction')
iris = cbind(iris, prediction)
residual <- prediction - iris$Petal.Width
colnames(residual) <- c('residual')
iris = cbind(iris, residual)

We then create our interactive residual plot by first creating a simple ggplot and passing it through ggplotly.

scatter <- ggplot(iris, aes(x = prediction, y = residual, color = split)) + 
  geom_point() + 
  geom_smooth(formula=y ~ x, method=lm, se=FALSE) 

scatter <- ggplotly(p = scatter, type = 'scatter')
scatter

If we want to get fancy, we can create a violin plot and add it to our residual plot.

violin <- iris %>%
  plot_ly(x = ~split, y = ~residual, split = ~split, type = 'violin' )

s <- subplot(
  scatter,
  violin,
  nrows = 1, heights = c(1), widths = c(0.65, 0.35), margin = 0.01,
  shareX = TRUE, shareY = TRUE, titleX = TRUE, titleY = TRUE
)

plotly::layout(s, showlegend = FALSE) # necessary to ensure it uses layout function from plotly instead of graphics

ML Classification in R

KNN Classification

We can also use what we have found from our KNN models, and include some of the categorical variables in order to analyze their effect on tips and total bill costs

First, lets run a similar process as to our previous KNN regression, creating a training and testing data set and adding a variable to the main data set that tells us whether the observation is from the training or testing data set and which gender they are

# Create Training and Testing Data Sets

tips$sex <- as.character(tips$sex) # tips represents the data set being used. sex represents the categorical output variable being studied
set.seed(123)
tips_split <- initial_split(tips, prop = 3/4)  # Creates a data set with training and testing data <- name comes from data set
tips_training <- tips_split %>%  # Creates a training data set <- name comes from data set
  training()
tips_test <- tips_split %>%  # Creates a testing data set <- name comes from data set
  testing()

# Helps us create a variable for Table and Gender Combination

train_index <- as.integer(rownames(tips_training))
test_index <- as.integer(rownames(tips_test))
tips[train_index,'split'] = 'Training'
tips[test_index,'split'] = 'Testing'
tips$Table_Gender <- paste(tips$split,tips$sex) # Remember tips and sex should be interchanged for your data set/question

Now we can plot this in a scatterplot using shaped and dotted shapes to recreate the previous scatterplot checking female and male tip and bill costs, onky this time now we are able to check how representative out testing data is compared to the training data. The goal is to find some pattern similarities between the testing and training data in order to validate the new training data

# Graph the Training and Testing Datasets Together

fig <- plot_ly(data = tips, x = ~total_bill, y = ~tip, type = 'scatter', mode = 'markers',alpha = 0.5, symbol = ~Table_Gender, symbols = c('square','circle','square-dot','circle-dot'),
               marker = list(size = 12,
                             color = 'lightyellow',
                             line = list(color = 'black',width = 1)))

fig
Choose a new categorical output variable and create a similar visualization.

*Tip* If more than two levels of the output variable the basic shapes are as follows: circle , square , diamond , cross , x , triangle , pentagon , hexagram , star , diamond , hourglass , bowtie , asterisk , hash , y , and line .

Visualizing Confidence Scores of Test Data

The next step is to visualize our confidence in each of our prediction points for the test data. To do that we can produce a similar scatter plot to the one above, only this one removes the training data from the set and then has a color gradient to display the confidence in the testing prediction based on the distance calculated in the KNN regression

# Recreating Training and Testing Data Sets

tips$sex <- as.factor(tips$sex)  # tips comes from the data set. sex comes from the output variable being modeled

tips_split <- initial_split(tips, prop = 3/4) # Creates a data set with training and testing data <- name comes from data set
train_data <- training(tips_split) # Creates a training data set <- name comes from data set
test_data <- testing(tips_split) # Creates a testing data set <- name comes from data set

# Remove the output variable from the test data to remove it from calculation to be compared back to
x_test <- test_data %>% select(-sex)  
y_test <- test_data %>% select(sex)

# Running a K Nearest Neighbors Classification on the Data
knn_dist <- nearest_neighbor(neighbors = 15, weight_func = 'rectangular') %>% 
  set_engine('kknn') %>% 
  set_mode('classification') %>% # Set to classification so it is known the output is categorical and regression is not run
  fit(sex~., data = train_data) # sex represents output variable
yscore <- knn_dist %>%
  predict(x_test, type = 'prob')
colnames(yscore) <- c('yscore0','yscore1')
yscore <- yscore$yscore1

pdb <- cbind(x_test, y_test)
pdb <- cbind(pdb, yscore)

# Graph The Confidence Scores

fig <- plot_ly(data = pdb,x = ~total_bill, y = ~tip, type = 'scatter', mode = 'markers',color = ~yscore, colors = 'RdBu', symbol = ~sex, split = ~sex, symbols = c('square-dot','circle-dot'), 
               marker = list(size = 12, line = list(color = 'black', width = 1)))

fig
Once again, recreate the visualization above. Try using the same variable you used on the graph of the training and testing data.

Estimating Probability of a Factor With Contour Map

To create a map showing probabilities of the observation point being a male or a female based on bill total and tip total, we can create a contour map. For this we need to load in the pracma package

library(plotly)
library(pracma)
## Warning: package 'pracma' was built under R version 4.1.2
## 
## Attaching package: 'pracma'
## The following object is masked from 'package:purrr':
## 
##     cross
library(kknn)
library(tidymodels)
# Create a dataset that only contains the main variables of interest for the visualization.

tips_original <- tips %>%
  select(total_bill, tip, sex) # total_bill and tip are the two input variables. sex is the output

tips$sex <- as.character(tips$sex) 
set.seed(123)
tips_split <- initial_split(tips, prop = 3/4) # Creates a data set with training and testing data <- name comes from data set
tips_training <- tips_split %>% #  Creates a training data set <- name comes from data set
  training()
tips_test <- tips_split %>% # Creates a testing data set <- name comes from data set
  testing()
train_index <- as.integer(rownames(tips_training))
test_index <- as.integer(rownames(tips_test))

# Created a mesh grid layout for the graph to be contoured

mesh_size = .02
margin = 0.25
x_min =  min(tips$total_bill) - margin # tips$total_bill represents the x variable
x_max = max(tips$total_bill) + margin
y_min = min(tips$tip) - margin # tips$tip represents the y variable
y_max = max(tips$tip) + margin
xrange <- seq(x_min, x_max, mesh_size)
yrange <- seq(y_min, y_max, mesh_size)
xy <- meshgrid(x = xrange, y = yrange)
xx <- xy$X
yy <- xy$Y

tips_original$sex <- as.factor(tips_original$sex)

knn_dist <- nearest_neighbor(neighbors = 15, weight_func = 'rectangular') %>%
  set_engine('kknn') %>%
  set_mode('classification') %>%
  fit(sex~., data = tips_original) # make sure to use the data set with only the variable of interest and not the original set

dim_val <- dim(xx)
xx1 <- matrix(xx, length(xx), 1)
yy1 <- matrix(yy, length(yy), 1)
final <- data.frame(xx1, yy1)
colnames(final) <- c('total_bill','tip') # rename the two columns back to the names of variables needed

pred <- knn_dist %>%
  predict(final, type = 'prob')

predicted <- pred$.pred_Female # Check the pred variable and replace the female part with the first variable in the set
Z <- matrix(predicted, dim_val[1], dim_val[2])

fig <- plot_ly(x = xrange, y= yrange, z = Z, colorscale='RdBu', type = "contour")
fig
Finish up with a contour graph using the output variable you have used on the last two visualizations. This one has left out titles and axes labels so combine what has been learned from other visualizations to add that information to this type of table.